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Phys.: Condens. Matter"],"published-print":{"date-parts":[[2026,10,2]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>\n                    Two-dimensional wide-band-gap (2D WBG) semiconductors have attracted considerable interest due to their unique physical properties and potential applications. However, most existing 2D WBG semiconductors suffer from low carrier mobilities, which severely constrain their utility in electronic and optoelectronic devices. Inspired by the ultrahigh mobility arising from the delocalized\n                    <jats:italic>\u03c0<\/jats:italic>\n                    -electron network in graphene, we propose a design strategy that reconciles wide band gaps with efficient charge transport by confining\n                    <jats:italic>\u03c0<\/jats:italic>\n                    electrons into discrete C\n                    <jats:sub>6<\/jats:sub>\n                    rings embedded within a fully\n                    <jats:italic>sp<\/jats:italic>\n                    <jats:sup>3<\/jats:sup>\n                    -hybridized host framework. Following this concept, we successfully predict a P\n                    <jats:sub>2<\/jats:sub>\n                    C\n                    <jats:sub>9<\/jats:sub>\n                    monolayer featuring a direct band gap of 2.9 eV. Advanced carrier transport calculations, explicitly incorporating acoustic deformation potential, polar optical phonon, and ionized impurity scattering, yields an electron mobility of \u223c153 cm\n                    <jats:sup>2<\/jats:sup>\n                    V\n                    <jats:sup>\u22121<\/jats:sup>\n                    s\n                    <jats:sup>\u22121<\/jats:sup>\n                    at an impurity concentration of 10\n                    <jats:sup>10<\/jats:sup>\n                    cm\n                    <jats:sup>\u22122<\/jats:sup>\n                    . Furthermore, excitonic calculations reveal a strongly bound exciton with a binding energy of 1.31 eV. These results demonstrate that the P\n                    <jats:sub>2<\/jats:sub>\n                    C\n                    <jats:sub>9<\/jats:sub>\n                    monolayer simultaneously achieves a WBG, appreciable mobility and robust excitonic effects, thereby establishing\n                    <jats:italic>\u03c0<\/jats:italic>\n                    -bond isolation as the promising strategy for designing 2D WBG semiconductors.\n                  <\/jats:p>","DOI":"10.1088\/1361-648x\/aea670","type":"journal-article","created":{"date-parts":[[2026,9,11]],"date-time":"2026-09-11T22:54:03Z","timestamp":1789167243000},"page":"395702","update-policy":"https:\/\/doi.org\/10.1088\/crossmark-policy","source":"Crossref","is-referenced-by-count":0,"title":["Host\u2013guest P\n                    <sub>2<\/sub>\n                    C\n                    <sub>9<\/sub>\n                    : a wide-band-gap two-dimensional semiconductor with appreciable electron mobility"],"prefix":"10.1088","volume":"38","author":[{"ORCID":"https:\/\/orcid.org\/0009-0000-8372-9443","authenticated-orcid":true,"given":"Jiaqi","family":"Liu","sequence":"first","affiliation":[{"name":"State Key Laboratory of Metastable Materials Science & Technology and Hebei Key Laboratory of Microstructural Material Physics, School of Science, Yanshan University"}],"role":[{"vocabulary":"crossref","role":"author"},{"role":"conceptualization","vocabulary":"credit"},{"role":"data-curation","vocabulary":"credit"},{"role":"formal-analysis","vocabulary":"credit"},{"role":"investigation","vocabulary":"credit"},{"role":"methodology","vocabulary":"credit"},{"role":"software","vocabulary":"credit"},{"role":"visualization","vocabulary":"credit"},{"role":"writing-original-draft","vocabulary":"credit"}]},{"ORCID":"https:\/\/orcid.org\/0009-0005-9993-4042","authenticated-orcid":true,"given":"Sheng","family":"Wang","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Metastable Materials Science & Technology and Hebei Key Laboratory of Microstructural Material Physics, School of Science, Yanshan University"}],"role":[{"vocabulary":"crossref","role":"author"},{"role":"conceptualization","vocabulary":"credit"},{"role":"formal-analysis","vocabulary":"credit"},{"role":"funding-acquisition","vocabulary":"credit"},{"role":"methodology","vocabulary":"credit"},{"role":"project-administration","vocabulary":"credit"},{"role":"resources","vocabulary":"credit"},{"role":"supervision","vocabulary":"credit"},{"role":"writing-review-editing","vocabulary":"credit"}]},{"given":"Meiling","family":"Xu","sequence":"additional","affiliation":[{"name":"Laboratory of Quantum Functional Materials Design and Application, School of Physics and Electronic Engineering, Jiangsu Normal University"}],"role":[{"vocabulary":"crossref","role":"author"},{"role":"conceptualization","vocabulary":"credit"},{"role":"formal-analysis","vocabulary":"credit"},{"role":"funding-acquisition","vocabulary":"credit"},{"role":"investigation","vocabulary":"credit"},{"role":"project-administration","vocabulary":"credit"},{"role":"resources","vocabulary":"credit"},{"role":"writing-review-editing","vocabulary":"credit"}]},{"given":"Guochun","family":"Yang","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Metastable Materials Science & Technology and Hebei Key Laboratory of Microstructural Material Physics, School of Science, Yanshan University"}],"role":[{"vocabulary":"crossref","role":"author"},{"role":"conceptualization","vocabulary":"credit"},{"role":"formal-analysis","vocabulary":"credit"},{"role":"funding-acquisition","vocabulary":"credit"},{"role":"investigation","vocabulary":"credit"},{"role":"project-administration","vocabulary":"credit"},{"role":"resources","vocabulary":"credit"},{"role":"validation","vocabulary":"credit"},{"role":"writing-review-editing","vocabulary":"credit"}]}],"member":"266","published-online":{"date-parts":[[2026,9,29]]},"reference":[{"key":"cmaea670bib1","doi-asserted-by":"publisher","first-page":"4007","DOI":"10.1021\/acs.chemrev.9b00600","type":"journal-article","article-title":"Wide band gap chalcogenide semiconductors","volume":"120","author":"Woods-Robinson","year":"2020","journal-title":"Chem. 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